General Information of the Compound
| Compound ID |
CP0318932
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| Compound Name |
CHEMBL484321
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| Formula |
C23H24N4O7
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| Molecular Weight |
468.466
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| Canonical SMILES |
CC(C)(C)OC[C@H](Cn1ccnc1[N+]([O-])=O)OC(=O)c1ccc(NC=C2C(=O)C=CC2=O)cc1
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| InChI |
InChI=1S/C23H24N4O7/c1-23(2,3)33-14-17(13-26-11-10-24-22(26)27(31)32)34-21(30)15-4-6-16(7-5-15)25-12-18-19(28)8-9-20(18)29/h4-12,17,25H,13-14H2,1-3H3/t17-/m0/s1
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| InChIKey |
QEVLNRMSPRSJQH-KRWDZBQOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT06961, Matrix metalloproteinase-9
Protein ID: PT01142, Vascular endothelial growth factor receptor 1